2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid

C16H22FNO2 — CID 107880904

IUPAC2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
SMILESCCCC1CCCCN1Cc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H22FNO2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-15(17)14(10-12)16(19)20/h7-8,10,13H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyIQLOAGMJJDBJDB-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.68
Rot. Bonds5

About 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid

2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 107880904) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
PubChem CID107880904
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
SMILESCCCC1CCCCN1Cc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H22FNO2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-15(17)14(10-12)16(19)20/h7-8,10,13H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyIQLOAGMJJDBJDB-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
1-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-propylpiperidine
CID 113345825
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid (CID 107880904) is 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid is CCCC1CCCCN1Cc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is IQLOAGMJJDBJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-5-13-6-3-4-9-18(13)11-12-7-8-15(17)14(10-12)16(19)20/h7-8,10,13H,2-6,9,11H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 279.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 107880904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).